SCHEMBL81007

SCHEMBL81007

CC1(C)c2ccc(-c3nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)nc(-c4ccc5c(c4)-c4ncccc4C5(C)C)n3)cc2-c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SQOR Q9Y6N5 2/20 0.33
ABL1 P00519 2/20 0.32
TGFBR1 P36897 2/20 0.32
CYP2A6 P11509 1/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL80915 0.91 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19ABL1
SCHEMBL80935 0.88 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19ABL1
SCHEMBL81230 0.85 PDK2 (0.37) PDK2KMT2ACYP1A2CYP2C19ABL1
SCHEMBL81615 0.85 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19TGFBR1
SCHEMBL82042 0.84 PDK2 (0.35) PDK2KMT2ACYP1A2CYP2C19ABL1
SCHEMBL81585 0.84 RARA (0.40) PDK2KMT2ACYP1A2CYP2C19TGFBR1
SCHEMBL81604 0.82 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19LMNA
SCHEMBL81614 0.82 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19LMNA
SCHEMBL80977 0.82 KDM4E (0.36) PDK2KMT2ACYP1A2CYP2C19TGFBR1
SCHEMBL81660 0.82 PDK2 (0.33) PDK2KMT2ACYP1A2CYP2C19TGFBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 PDK2 663/4885KMT2A 699/4885CYP1A2 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.